3-methoxy-6-(thian-4-ylmethyl)pyridazine

C11H16N2OS — CID 117105517

IUPAC3-methoxy-6-(thian-4-ylmethyl)pyridazine
SMILESCOc1ccc(CC2CCSCC2)nn1
InChIInChI=1S/C11H16N2OS/c1-14-11-3-2-10(12-13-11)8-9-4-6-15-7-5-9/h2-3,9H,4-8H2,1H3
InChIKeyFCALKECHYWKNEY-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.17
Rot. Bonds3

About 3-methoxy-6-(thian-4-ylmethyl)pyridazine

3-methoxy-6-(thian-4-ylmethyl)pyridazine (PubChem CID 117105517) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-methoxy-6-(thian-4-ylmethyl)pyridazine.

Molecular Properties

Compound Name3-methoxy-6-(thian-4-ylmethyl)pyridazine
PubChem CID117105517
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-methoxy-6-(thian-4-ylmethyl)pyridazine
SMILESCOc1ccc(CC2CCSCC2)nn1
InChIInChI=1S/C11H16N2OS/c1-14-11-3-2-10(12-13-11)8-9-4-6-15-7-5-9/h2-3,9H,4-8H2,1H3
InChIKeyFCALKECHYWKNEY-UHFFFAOYSA-N
XLogP2.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105520
3-methoxy-6-(methoxymethyl)pyridazine
CID 117104950
6-methoxy-3-(thian-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137940
6-(thian-4-ylmethyl)pyridazin-4-amine
CID 117105435
3-methoxy-6-(piperidin-3-ylmethoxymethyl)pyridazine
CID 114268734
(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268609
2-(6-methoxypyridazin-3-yl)ethanethioamide
CID 130505695
2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol
CID 114268820
1-methyl-3-(thian-4-ylmethyl)pyrazole-5-carboxylic acid
CID 115092425
3-methoxy-6-(thiolan-2-yl)pyridazine
CID 117105790
8-methoxy-2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136147
1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114268775

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(thian-4-ylmethyl)pyridazine?
The IUPAC name of 3-methoxy-6-(thian-4-ylmethyl)pyridazine (CID 117105517) is 3-methoxy-6-(thian-4-ylmethyl)pyridazine.
What is the SMILES notation for 3-methoxy-6-(thian-4-ylmethyl)pyridazine?
The canonical SMILES for 3-methoxy-6-(thian-4-ylmethyl)pyridazine is COc1ccc(CC2CCSCC2)nn1.
What is the InChIKey of 3-methoxy-6-(thian-4-ylmethyl)pyridazine?
The InChIKey is FCALKECHYWKNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-14-11-3-2-10(12-13-11)8-9-4-6-15-7-5-9/h2-3,9H,4-8H2,1H3.
What are the key properties of 3-methoxy-6-(thian-4-ylmethyl)pyridazine?
3-methoxy-6-(thian-4-ylmethyl)pyridazine has a molecular weight of 224.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(thian-4-ylmethyl)pyridazine is sourced from PubChem (CID 117105517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).